N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide

C11H14N2OS — CID 61118996

IUPACN-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCCC(C)(C#N)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H14N2OS/c1-3-11(2,8-12)13-10(14)6-9-4-5-15-7-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyLOQYFWOWFRMRPR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.10
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide

N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide (PubChem CID 61118996) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide
PubChem CID61118996
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCCC(C)(C#N)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H14N2OS/c1-3-11(2,8-12)13-10(14)6-9-4-5-15-7-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyLOQYFWOWFRMRPR-UHFFFAOYSA-N
XLogP2.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115968855
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 61119783
N-(2-chloro-4,4-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 107156940
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide (CID 61118996) is N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide is CCC(C)(C#N)NC(=O)Cc1ccsc1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide?
The InChIKey is LOQYFWOWFRMRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-11(2,8-12)13-10(14)6-9-4-5-15-7-9/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide?
N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide has a molecular weight of 222.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 61118996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).